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Refactor DFT+U occupation reader for strict compact input - #8166

Merged

mohanchen merged 14 commits into

deepmodeling:developfrom

lanshuyue:codex/dftu-base-io-refactor-v2

Oct 19, 2026

Merged

Refactor DFT+U occupation reader for strict compact input#8166
mohanchen merged 14 commits into
deepmodeling:developfrom
lanshuyue:codex/dftu-base-io-refactor-v2

Commits on Oct 17, 2026
- Refactor DFT+U occupation reader into separate source
  lanshuyue
  committed
  b08549e
- Refactor DFT+U reader for strict compact input
  lanshuyue
  committed
  052ee2b
- Rename and simplify DFT+U compact reader
  lanshuyue
  committed
  04634f5
- Fix legacy Makefile linkage for DFT+U reader
  lanshuyue
  committed
  686c197
- Scope DFT+U occupation reader helpers explicitly
  lanshuyue
  committed
  9b45b0e
- Put DFT+U occupation reader entry point first
  lanshuyue
  committed
  13249d0
- Qualify DFT+U SOC layout constants
  lanshuyue
  committed
  335338d
- Simplify compact DFT+U occupation reader
  lanshuyue
  committed
  8e86f93
- Merge branch 'develop' into codex/dftu-base-io-refactor-v2
  mohanchen
  authored
  44c8247
Commits on Oct 18, 2026
- Use flat occupation-matrix writes in DFT+U reader
  lanshuyue
  committed
  b0f9231
- Rename DFT+U reader implementation
  lanshuyue
  committed
  3187635
- Allow inline comments in compact DFT+U input
  lanshuyue
  committed
  1d7e3ca
- Make malformed DFT+U row tests focused
  lanshuyue
  committed
  1b16b3b
- Test multi-atom DFT+U occupation reading
  lanshuyue
  committed
  abef2d9